(4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C10H17NO4 — CID 100966431

IUPAC(4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](C)O
InChIInChI=1S/C10H17NO4/c1-6(2)8-5-15-10(14)11(8)9(13)4-7(3)12/h6-8,12H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyNVLYLWGGWFZSQG-HTQZYQBOSA-N
MW215.25 g/mol
LogP0.76
Rot. Bonds3

About (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 100966431) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID100966431
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](C)O
InChIInChI=1S/C10H17NO4/c1-6(2)8-5-15-10(14)11(8)9(13)4-7(3)12/h6-8,12H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyNVLYLWGGWFZSQG-HTQZYQBOSA-N
XLogP0.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 100966431) is (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](C)O.
What is the InChIKey of (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NVLYLWGGWFZSQG-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)8-5-15-10(14)11(8)9(13)4-7(3)12/h6-8,12H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-3-hydroxybutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 100966431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).